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GPCR

NameEndothelin-1 receptor
SpeciesSus scrofa (Pig)
GeneEDNRA
SynonymEndothelin receptor type A {ECO:0000250|UniProtKB:P25101}
ET-A
ET-AR
DiseaseN/A for non-human GPCRs
Length427
Amino acid sequenceMETFCFRVSFWVALLGCVISDNPESHSTNLSTHVDDFTTFRGTEFSLVVTTHRPTNLALPSNGSMHNYCPQQTKITSAFKYINTVISCTIFIVGMVGNATLLRIIYQNKCMRNGPNALIASLALGDLIYVVIDLPINVFKLLAGRWPFENHDFGVFLCKLFPFLQKSSVGITVLNLCALSVDRYRAVASWSRVQGIGIPLVTAIEIVSIWILSFILAIPEAIGFVMVPFEYKGEEHKTCMLNATSKFMEFYQDVKDWWLFGFYFCMPLVCTAIFYTLMTCEMLNRRNGSLRIALSEHLKQRREVAKTVFCLVVIFALCWFPLHLSRILKKTVYDEMDKNRCELLSFLLLMDYIGINLATMNSCINPIALYFVSKKFKNCFQSCLCCCCYQSKSLMTSVPMNGTSIQWKNHEQNNHNTERSSHKDSIN
UniProtQ29010
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4130
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL114704
Molecular formulaC31H31N5O6S
IUPAC name4-tert-butyl-N-[5-(3-methoxyphenoxy)-6-(2-quinoxalin-2-yloxyethoxy)pyrimidin-4-yl]benzenesulfonamide
Molecular weight601.678
Hydrogen bond acceptor11
Hydrogen bond donor1
XlogP5.8
SynonymsBDBM50105017
4-tert-Butyl-N-{5-(3-methoxy-phenoxy)-6-[2-(quinoxalin-2-yloxy)-ethoxy]-pyrimidin-4-yl}-benzenesulfonamide
Inchi KeyCCIPROAWVACJRF-UHFFFAOYSA-N
Inchi IDInChI=1S/C31H31N5O6S/c1-31(2,3)21-12-14-24(15-13-21)43(37,38)36-29-28(42-23-9-7-8-22(18-23)39-4)30(34-20-33-29)41-17-16-40-27-19-32-25-10-5-6-11-26(25)35-27/h5-15,18-20H,16-17H2,1-4H3,(H,33,34,36)
PubChem CID11767189
ChEMBLCHEMBL114704
IUPHARN/A
BindingDB50105017
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC5045.4 nMPMID11585441BindingDB,ChEMBL

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